1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

C15H19N7O — CID 119105948

IUPAC1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C15H19N7O/c23-15(9-22-11-16-10-17-22)21-7-5-20(6-8-21)14-4-3-13(18-19-14)12-1-2-12/h3-4,10-12H,1-2,5-9H2
InChIKeyZLOWYVSQMLVUSW-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.29
Rot. Bonds4

About 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 119105948) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID119105948
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C15H19N7O/c23-15(9-22-11-16-10-17-22)21-7-5-20(6-8-21)14-4-3-13(18-19-14)12-1-2-12/h3-4,10-12H,1-2,5-9H2
InChIKeyZLOWYVSQMLVUSW-UHFFFAOYSA-N
XLogP0.29
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone with MolForge

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Related Compounds

1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122336175
2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 72719893
1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122336760
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
3-[2-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 122279486
2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 71811000
2-(4-chlorophenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122279224
3-[2-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122279444
1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 121146045
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122279318
6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
CID 122334466

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 119105948) is 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is ZLOWYVSQMLVUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c23-15(9-22-11-16-10-17-22)21-7-5-20(6-8-21)14-4-3-13(18-19-14)12-1-2-12/h3-4,10-12H,1-2,5-9H2.
What are the key properties of 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 313.37 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 119105948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).